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Target
Integrase
Ligand
BDBM50162337
Substrate
n/a
Meas. Tech.
ChEMBL_306087 (CHEMBL833588)
IC50
150000±n/a nM
Citation
 Deng, J; Lee, KW; Sanchez, T; Cui, M; Neamati, N; Briggs, JM Dynamic receptor-based pharmacophore model development and its application in designing novel HIV-1 integrase inhibitors. J Med Chem 48:1496-505 (2005) [PubMed]  Article 
Target
Name:
Integrase
Synonyms:
Human immunodeficiency virus type 1 integrase
Type:
PROTEIN
Mol. Mass.:
32231.48
Organism:
Human immunodeficiency virus 1
Description:
ChEMBL_90865
Residue:
288
Sequence:
FLDGIDKAQDEHEKYHSNWRAMASDFNLPPVVAKEIVASCDKCQLKGEAMHGQVDCSPGIWQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFLLKLAGRWPVKTIHTDNGSNFTSTTVKAACWWAGIKQEFGIPYNPQSQGVVESMNKELKKIIGQVRDQAEHLKTAVQMAVFIHNFKRKGGIGGYSAGERIVDIIATDIQTKELQKQITKIQNFRVYYRDSRDPLWKGPAKLLWKGEGAVVIQDNSDIKVVPRRKVKIIRDYGKQMAGDDCVASRQDED
  
Inhibitor
Name:
BDBM50162337
Synonyms:
3-[(2,4-Dihydroxy-benzoyl)-hydrazono]-N-(2,4,6-trimethyl-phenyl)-butyramide | CHEMBL176042
Type:
Small organic molecule
Emp. Form.:
C20H23N3O4
Mol. Mass.:
369.4143
SMILES:
CC(CC(=O)Nc1c(C)cc(C)cc1C)=NNC(=O)c1ccc(O)cc1O |w:15.16|
Structure:
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